Put theory to work for you and streamline your research with Computational Chemistry!
(© Bil Keane. Reprinted with special permission of King Features Syndicate.)
The evolution of theory, computer hardware, and commercial software has reached the
point where it is now practical to convert theory into quantitative
information about industrially important chemicals and chemical processes via Computational
Chemistry. This compliments data from experiments and observations, offering the
opportunity to greatly accelerate the solution of research problems.
The Key to Connecting Computational Chemistry with Specific Research Objectives, is
Recognizing When There is a Critical Molecular Level Question, and Selecting the
Most Appropriate Computational Method to Answer That Question.
Ernest Chamot, PhD
years of experience, first combining organic synthesis skills with computational methods as an Industrial Research Chemist with a major petrochemical company, and then as an independent consultant in Computational Chemistry applications. He has extensive experience with Molecular Mechanics, Semiempirical, ab initio Hartree-Fock, and Density Functional methods, and with specialized Catalyst/Sorbent and Polymer modeling software. He has successfully applied these methods to:
Catalyst Design, Process Simulation, Quality Control, and Process Instrumentation projects; and to solving problems in the areas of:
Separations, Product Selectivity, Byproduct Control, Process Optimization, and Biodegradation. His expertise includes:
small molecule, polymer, solids, solvation, reactive intermediate, and transition state modeling; heterogeneous and homogeneous transition metal catalyst modeling; calculation of thermodynamic and kinetic parameters; and calculation of UV and IR spectra and fluorescence wavelengths. Most recently his research has focused on predicting the thermal stability of polymers.
For further information, to explore a consulting relationship, training, or to initiate a contract research project, contact Ernie at:
Chamot Laboratories, Inc.
530 E. Hillside Rd.
Naperville, Illinois 60540
Chamot Labs can help you integrate Computational Chemistry with your research process.
- Seminar on practical applications of Computational Chemistry.
- Training on use of commercial software.
- Distinguish between research issues more effectively addressed by computational
methods, than experimentally.
- Complete confidentiality.
- Detail appropriate Computational approach, including type of results expected, approximate
accuracy, and resources required.
- Advice on strengths, limitations, and features of current software and hardware.
- Advice on capabilities, fundamental limitations, and pitfalls with the different
- Guidance and technical support for staff scientists carrying out their own calculations.
- Project proposals focused on specific research needs.
- Initial estimate of time/cost/computing resources required.
- Standard Computational Chemistry hardware/software configuration provided.
- Access to specialized resources available by arrangement.
- Informal reporting of interim results and ongoing review of project direction as
- Formal documentation upon project completion.